4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride

C16H25ClN2O2 — CID 119292107

IUPAC4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCc1ccc(OC2CCN(C(=O)CCCN)CC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-13-4-6-14(7-5-13)20-15-8-11-18(12-9-15)16(19)3-2-10-17;/h4-7,15H,2-3,8-12,17H2,1H3;1H
InChIKeyKELCUJJOVGSQHI-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.53
Rot. Bonds5

About 4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride

4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119292107) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID119292107
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCc1ccc(OC2CCN(C(=O)CCCN)CC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-13-4-6-14(7-5-13)20-15-8-11-18(12-9-15)16(19)3-2-10-17;/h4-7,15H,2-3,8-12,17H2,1H3;1H
InChIKeyKELCUJJOVGSQHI-UHFFFAOYSA-N
XLogP2.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 120609194
2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 110397075
1-[4-(4-methylphenoxy)piperidin-1-yl]-3-(1-methylpiperidin-3-yl)propan-1-one
CID 72883560
(3S)-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-methylsulfanylbutan-1-one
CID 124569340
(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 119292106
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one
CID 90566283
5-bromo-1-(4-phenoxypiperidin-1-yl)pentan-1-one
CID 107909079
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 82688051
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
4-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119304917
1-[4-(3-aminopropoxy)piperidin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 119662784

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride (CID 119292107) is 4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride is Cc1ccc(OC2CCN(C(=O)CCCN)CC2)cc1.Cl.
What is the InChIKey of 4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is KELCUJJOVGSQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-13-4-6-14(7-5-13)20-15-8-11-18(12-9-15)16(19)3-2-10-17;/h4-7,15H,2-3,8-12,17H2,1H3;1H.
What are the key properties of 4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride?
4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119292107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).